SCHEMBL3051264

SCHEMBL3051264

CN(C(=O)c1cccc2ccccc12)C(CCN)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.42
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
C5AR1 P21730 1/20 0.41
CNR2 P34972 2/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC2 Q92769 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3048359 1.00 F7 (0.42) F7F2F10C5AR1CNR2
SCHEMBL3051254 0.91 KDM4E (0.43) F7F2F10C5AR1KDM4E
SCHEMBL3055333 0.91 KDM4E (0.43) F7F2F10C5AR1KDM4E
SCHEMBL3049999 0.89 C5AR1 (0.52) F7F2F10C5AR1CNR2
SCHEMBL3060991 0.89 C5AR1 (0.52) F7F2F10C5AR1CNR2
SCHEMBL3051263 0.87 F7 (0.44) F7F2F10C5AR1CNR2
SCHEMBL3048355 0.87 F7 (0.44) F7F2F10C5AR1CNR2
SCHEMBL3050474 0.81 TDP1 (0.41) OPRM1OPRD1OPRK1TDP1KMT2A
SCHEMBL3053958 0.81 TDP1 (0.41) OPRM1OPRD1OPRK1TDP1KMT2A
SCHEMBL3055358 0.80 MAPK14 (0.47) F7F2F10KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 F7 2288/4885F2 2199/4885F10 3378/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.